Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.31 |
| ▸ | TACR2 | P21452 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.31 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | STAT3 | P40763 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19873655 | 0.93 | TACR2 (0.31) | AKR1C3AKR1C2ENPP2TACR2TACR1 | |
| SCHEMBL19873672 | 0.93 | LPAR1 (0.33) | AKR1C3AKR1C2ENPP2TACR2TACR1 | |
| SCHEMBL19873642 | 0.89 | LPAR1 (0.41) | ENPP2ROCK2ROCK1LPAR1LPAR3 | |
| SCHEMBL19873643 | 0.89 | LPAR1 (0.41) | ENPP2ROCK2ROCK1LPAR1LPAR3 | |
| SCHEMBL19873582 | 0.88 | JAK2 (0.40) | AKR1C3AKR1C2LPAR1KDM4E | |
| SCHEMBL19873589 | 0.87 | LPAR1 (0.40) | LPAR1KDM4E | |
| SCHEMBL19873591 | 0.87 | LPAR1 (0.40) | LPAR1KDM4E | |
| SCHEMBL19873555 | 0.87 | LPAR1 (0.34) | AKR1C3AKR1C2TACR2TACR1LPAR1 | |
| SCHEMBL19873571 | 0.87 | ROCK2 (0.34) | ENPP2ROCK2ROCK1LPAR1LPAR3 | |
| SCHEMBL19873573 | 0.87 | ROCK2 (0.34) | ENPP2ROCK2ROCK1LPAR1LPAR3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3360869-B1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. | UBE INDUSTRIES (JP) | 2020-07-29 | — | — | EP | claimed |
| EP-2940013-B1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND | UBE INDUSTRIES (JP) | 2018-02-21 | — | — | EP | claimed |